UCSF

ZINC22701367

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 27 No

Popular Name: 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(morpholinomethyl)thiazol-2-yl]acetam 2-[(3aS,7aR)-1,3-dioxo-3a,4,7,7a…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.62 3.63 -13.61 1 8 0 92 390.465 5 ↓
Lo Low (pH 4.5-6) 0.62 5.91 -42.83 2 8 1 93 391.473 5 ↓
Lo Low (pH 4.5-6) 0.62 5.93 -43.44 2 8 1 93 391.473 5 ↓
Lo Low (pH 4.5-6) 0.62 5.91 -42.89 2 8 1 93 391.473 5 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.